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2020-12-18
Lasing in Group-IV materials
Silicon photonics in the near-Infra-Red, up to 1.6 um, is already one of key technologies in optical data communications, particularly short-range. It is also being prospected for applications in quantum computing, artificial intelligence, optical signal processing, where complex photonic integration is to be combined ...
2012.10220v1
2020-12-18
Rare-earth-free ferrimagnetic Mn4N sub-20 nm thin films as high-temperature spintronic material
Ferrimagnetic alloy thin films that exhibit perpendicular (out-of-plane) magnetic anisotropy (PMA) with low saturation magnetization, such as GdCo and Mn4N, were predicted to be favorable for hosting small Neel skyrmions for room temperature applications. Due to the exponential decay of interfacial Dzyaloshinskii-Moriy...
2012.10493v1
2020-12-21
Nonstationarity Analysis of Materials Microstructures via Fisher Score Vectors
Microstructures are critical to the physical properties of materials. Stochastic microstructures are commonly observed in many kinds of materials and traditional descriptor-based image analysis of them can be challenging. In this paper, we introduce a powerful and versatile score-based framework for analyzing nonstatio...
2012.11135v1
2020-12-24
Thermal performance of GaInSb quantum well lasers for silicon photonics applications
A key component for the realization of silicon-photonics are integrated lasers operating in the important communications band near 1.55 ${\mu}$m. One approach is through the use of GaSb-based alloys which may be grown directly on silicon. In this study, silicon-compatible strained Ga$_{0.8}$In$_{0.2}$Sb/Al$_{0.35}$Ga$_...
2012.13369v1
2020-12-31
Topological effects of phonons in GaN and AlxGa1-xN: A potential perspective for tuning phonon transport
Tuning thermal transport in semiconductor nanostructures is of great significance for thermal management in information and power electronics. With excellent transport properties, such as ballistic transport, immunity to point defects and disorders, and forbidden backscattering, topological phonon surface states show r...
2012.15500v2
2021-01-13
Natural hyperbolicity in the layered hexagonal crystal structure
Discovering the physical requirements for meeting the indefinite permittivity in natural material as well as proposing a new natural hyperbolic media offer a possible route to significantly improve our knowledge and ability to confine and controlling light in optoelectronic devices. We demonstrate the hyperbolicity in ...
2101.05262v2
2021-01-14
Materials Fingerprinting Classification
Significant progress in many classes of materials could be made with the availability of experimentally-derived large datasets composed of atomic identities and three-dimensional coordinates. Methods for visualizing the local atomic structure, such as atom probe tomography (APT), which routinely generate datasets compr...
2101.05808v1
2021-01-15
Ab initio investigations of point and complex defect structures in B2-FeAl
In this work we have studied the defect structure and corresponding defect concentration investigations through the theoretical, experimental and computational works on B2-type Fe-Al alloys. We have used ab initio framework in order to investigate the defect structure. To have a proper explanation for high defect conce...
2101.06050v1
2021-01-18
Systematic electrochemical etching of various metal tips for tunneling spectroscopy and scanning probe microscopy
Hard point-contact spectroscopy and scanning probe microscopy/spectroscopy are powerful techniques for investigating materials with strong expandability. To support these studies, tips with various physical and chemical properties are required. To ensure the reproducibility of experimental results, the fabrication of t...
2101.07090v1
2021-01-20
Effect of Oxygen and Aluminium Incorporation on Local Structure of GaN Nanowires: Insight from Extended X-ray Absorption Fine Structure Analysis
A thorough investigation of local structure, influencing macroscopic properties of the solid is of potential interest. We investigated the local structure of GaN nanowires (NWs) with different native defect concentration synthesized by the chemical vapor deposition technique. Extended X-ray absorption fine structure (E...
2101.08121v1
2021-01-29
Reservoir Computing with Magnetic Thin Films
Advances in artificial intelligence are driven by technologies inspired by the brain, but these technologies are orders of magnitude less powerful and energy efficient than biological systems. Inspired by the nonlinear dynamics of neural networks, new unconventional computing hardware has emerged with the potential to ...
2101.12700v2
2021-02-01
Polycrystal plasticity with grain boundary evolution: A numerically efficient dislocation-based diffuse-interface model
Grain structure plays a key role in the mechanical properties of alloy materials. Engineering the grain structure requires a comprehensive understanding of the evolution of grain boundaries (GBs) when a material is subjected to various manufacturing processes. To this end, we present a computationally efficient framewo...
2102.00666v2
2021-02-05
Prediction of crystal structures and motifs in the Fe-Mg-O system at Earth's core pressures
Fe, Mg, and O are among the most abundant elements in terrestrial planets. While the behavior of the Fe-O, Mg-O, and Fe-Mg binary systems under pressure have been investigated, there are still very few studies of the Fe-Mg-O ternary system at relevant Earth's core and super-Earth's mantle pressures. Here, we use the ad...
2102.03402v1
2021-02-06
Unlocking the Origin of Compositional Fluctuations in InGaN Light Emitting Diodes
The accurate determination of the compositional fluctuations is pivotal in understanding their role in the reduction of efficiency in high indium content $In_{x}Ga_{1-x}N$ light-emitting diodes, the origin of which is still poorly understood. Here we have combined electron energy loss spectroscopy (EELS) imaging at sub...
2102.03590v1
2021-02-08
Improvement of reversible H storage capacity by fine tuning of the composition in the pseudo-binary systems A2-xLaxNi7 (A = Gd, Sm, Y, Mg)
A2B7 compounds (A = rare earth or Mg, B = transition metal) are widely studied as active materials for negative electrode in Ni-MH batteries. By playing on the substitution rate of both A and B elements, it is possible to prepare various compositions. This strategy will help to improve the properties, for example get a...
2102.04161v1
2021-02-12
Combinatorial tuning of electronic structure and thermoelectric properties in Co$_2$MnAl$_{1-x}$Si$_x$ Weyl semimetals
A tuning of Fermi level (E$_F$) near Weyl points is one of the promising approaches to realize large anomalous Nernst effect (ANE). In this work, we introduce an efficient approach to tune E$_F$ for the Co$_2$MnAl Weyl semimetal through a layer-by-layer combinatorial deposition of Co$_2$MnAl$_{1-x}$Si$_x$ (CMAS) thin f...
2102.06412v2
2021-02-15
High-entropy van der Waals materials formed from mixed metal dichalcogenides, halides and phosphorus trisulfides
The charge, spin, and composition degrees of freedom in high-entropy alloy endow it with tunable valence and spin states, infinite combinations and excellent mechanical performance. Meanwhile, the stacking, interlayer, and angle degrees of freedom in van der Waals material bring it with exceptional features and technol...
2102.07493v2
2021-02-17
Performance of dopamine modified 0.5(Ba0.7Ca0.3)TiO3-0.5Ba(Zr0.2Ti0.8)O3 filler in PVDF nanocomposite as flexible energy storage and harvester
We demonstrate the potential of dopamine modified 0.5(Ba0.7Ca0.3)TiO3-0.5Ba(Zr0.2Ti0.8)O3 filler incorporated poly-vinylidene fluoride (PVDF) composite prepared by solution cast method as both flexible energy storage and harvesting devices. The introduction of dopamine in filler surface functionalization acts as bridgi...
2102.08608v1
2021-02-23
Tax evasion study in a society realized as a diluted Ising model with competing interactions
In this research, the tax evasion percentage, as order parameter, of a system of individuals or agents inscribed in a $N = L \times L$ 2D square grid is computed. The influence of local environment over each agent is quantified both through competitive exchange integrals (ferromagnetic and antiferromagnetic bonds) and ...
2102.11763v1
2021-02-26
Chiral photodetector based on GaAsN
The detection of light helicity is key to several research and industrial applications from drugs production to optical communications. However, the direct measurement of the light helicity is inherently impossible with conventional photodetectors based on III-V or IV-VI semiconductors, being naturally non-chiral. The ...
2102.13399v2
2021-02-26
Direct imaging of chiral domain walls and Néel-type skyrmionium in ferrimagnetic alloys
The evolution of chiral spin structures is studied in ferrimagnet Ta/Ir/Fe/GdFeCo/Pt multilayers as a function of temperature using scanning electron microscopy with polarization analysis (SEMPA). The GdFeCo ferrimagnet exhibits pure right-hand N\'eel-type domain wall (DW) spin textures over a large temperature range. ...
2102.13502v2
2021-04-06
Early volatile depletion on planetesimals inferred from C-S systematics of iron meteorite parent bodies
During the formation of terrestrial planets, volatile loss may occur through nebular processing, planetesimal differentiation, and planetary accretion. We investigate iron meteorites as an archive of volatile loss during planetesimal processing. The carbon contents of the parent bodies of magmatic iron meteorites are r...
2104.02706v1
2021-04-11
Combined theoretical and experimental study of the electronic and optical property of Sb$_2$WO$_6$
Both theoretical and experimental analysis are carried out to understand the physical properties of the fascinating electronic and optical properties of antimony tungstate (Sb$_2$WO$_6$). The nanosized ($\sim 40-80~nm$) material is produced using hydrothermal method followed by the SEM and XRD analysis to find the stru...
2104.04956v2
2021-04-21
Electrically driven programmable phase-change meta-switch reaching 80% efficiency
Despite recent advances in active metaoptics, wide dynamic range combined with high-speed reconfigurable solutions is still elusive. Phase-change materials (PCMs) offer a compelling platform for metasurface optical elements, owing to the large index contrast and fast yet stable phase transition properties. Here, we exp...
2104.10381v2
2021-04-20
Rapid feasibility assessment of components formed through hot stamping: A deep learning approach
The novel non-isothermal Hot Forming and cold die Quenching (HFQ) process can enable the cost-effective production of complex shaped, high strength aluminium alloy panel components. However, the unfamiliarity of designing for the new process prevents its widescale adoption in industrial settings. Recent research effort...
2104.13199v1
2021-04-27
Combined numerical and experimental estimation of the fracture toughness and failure analysis of single lap shear test for dissimilar welds
The single lap shear test is widely used to measure the strength of dissimilar welds even though such a test brings limited understanding of the intrinsic weld toughness. The present study proposes a numerical finite element (FE) analysis and experimental characterization of dissimilar joints presenting various microst...
2104.13506v1
2021-04-28
Correlation between vibrational anomalies and emergent anharmonicity of local potential energy landscape in metallic glasses
The boson peak (BP) is a universal feature in the Raman and inelastic scattering spectra of both disordered and crystalline materials. The current paradigm presents the boson peak as the result of a Ioffe-Regel crossover between ballistic (phonon) and diffusive-type excitations, where the loss of coherence of phonons i...
2104.13740v3
2021-04-30
Berry curvature generation detected by Nernst responses in ferroelectric Weyl semimetal
The quest for nonmagnetic Weyl semimetals with high tunability of phase has remained a demanding challenge. As the symmetry breaking control parameter, the ferroelectric order can be steered to turn on/off the Weyl semimetals phase, adjust the band structures around the Fermi level, and enlarge/shrink the momentum sepa...
2104.14876v1
2021-04-26
Imposing equilibrium on measured 3-D stress fields using Hodge decomposition and FFT-based optimization
We present a methodology to impose micromechanical constraints, i.e. stress equilibrium at grain and sub-grain scale, to an arbitrary (non-equilibrated) voxelized stress field obtained, for example, by means of synchrotron X-ray diffraction techniques. The method consists in finding the equilibrated stress field closes...
2105.01612v1
2021-04-11
Inspection of ratcheting models for pathological error sensitivity and overparametrization
Accurate analysis of plastic strain accumulation under stress-controlled cyclic loading is vital for numerous engineering applications. Typically, models of plastic ratcheting are calibrated against available experimental data. Since actual experiments are not exactly accurate, one should check the identification proto...
2105.01737v1
2021-05-05
Ni$_{80}$Fe$_{20}$ Nanotubes with Optimized Spintronic Functionalities Prepared by Atomic Layer Deposition
Permalloy Ni$_{80}$Fe$_{20}$ is one of the key magnetic materials in the field of magnonics. Its potential would be further unveiled if it could be deposited in three dimensional (3D) architectures of sizes down to the nanometer. Atomic Layer Deposition, ALD, is the technique of choice for covering arbitrary shapes wit...
2105.01969v1
2021-05-11
Combinatorial screening of crystal structure in Ba-Sr-Mn-Ce perovskite oxides with ABO3 stoichiometry
ABO3 oxides with the perovskite-related structures are attracting significant interest due to their promising physical and chemical properties for many applications requiring tunable chemistry, including fuel cells, catalysis, and electrochemical water splitting. Here we report on the crystal structure of the entire fa...
2105.05206v2
2021-05-13
Prediction of unconventional magnetism in doped FeSb2
It is commonly believed that in typical collinear antiferromagnets, with no net magnetization, the energy bands are spin-(Kramers-degenerate. The opposite case is usually associated with a global time-reversal symmetry breaking (e.g., via ferro(i)magnetism), or with the spin-orbit interaction is combined with the broke...
2105.06356v2
2021-05-14
Partitioned Active Learning for Heterogeneous Systems
Active learning is a subfield of machine learning that focuses on improving the data collection efficiency of expensive-to-evaluate systems. Especially, active learning integrated surrogate modeling has shown remarkable performance in computationally demanding engineering systems. However, the existence of heterogeneit...
2105.08547v2
2021-05-26
Room temperature superconductivity dome at a Fano resonance in superlattices of wires
Recently room temperature superconductivity with Tc=15 degrees Celsius has been discovered in a pressurized complex ternary hydride, CSHx, which is a carbon doped H3S alloy. The nanoscale structure of H3S is a particular realization of the 1993 patent claim of superlattice of quantum wires for room temperature supercon...
2105.13123v1
2021-05-28
Influence of magnetic fields on ultrafast laser-induced switching dynamics in Co/Gd bilayers
Recently it has been shown that not only GdFeCo alloys exhibit single-pulse helicity-independent all-optical switching (HI-AOS), but that this effect is also seen in Co/Gd bilayers. However, there have been no reports on the explicit time dynamics of the switching process in these bilayers as of yet. Furthermore, time-...
2105.13862v1
2021-06-09
Nanoscale Chemical Heterogeneity Dominates the Optoelectronic Response over Local Electronic Disorder and Strain in Alloyed Perovskite Solar Cells
Halide perovskites perform remarkably in optoelectronic devices including tandem photovoltaics. However, this exceptional performance is striking given that perovskites exhibit deep charge carrier traps and spatial compositional and structural heterogeneity, all of which should be detrimental to performance. Here, we r...
2106.04942v1
2021-06-15
A strengthening model of particle-matrix interaction based on an axisymmetric strain gradient plasticity analysis
Precipitation of fine particles into the base material of a metal is a potent strengthening mechanism. This is numerically analyzed within a continuum framework based on a higher order strain gradient plasticity theory and by use of an axi-symmetric unit cell model. The unit cell contains a spherical particle which is ...
2106.08432v1
2021-06-16
Enhanced GeSn Microdisk Lasers Directly Released on Si
GeSn alloys are promising candidates for complementary metal-oxide-semiconductor (CMOS)-compatible, tunable lasers. Relaxation of residual compressive strain in epitaxial GeSn has recently shown promise in improving the lasing performance. However, the suspended device configuration that has thus far been introduced to...
2106.08874v1
2021-06-16
The mechanical and electrochemical properties of polyaniline-coated carbon nanotube mat
The measured capacitance, modulus and strength of carbon nanotube-polyaniline (CNT-PANI) composite electrodes render them promising candidates for structural energy storage devices. Here, CNT-PANI composite electrodes are manufactured with electrodeposition of PANI onto the bundle network of CNT mats produced via a flo...
2106.09097v1
2021-06-23
Drastic effect of sequential deposition resulting from flux directionality on the luminescence efficiency of nanowire shells
Core-shell nanowire heterostructures form the basis for many innovative devices. When compound nanowire shells are grown by directional deposition techniques, the azimuthal position of the sources for the different constituents in the growth reactor, substrate rotation, and nanowire self-shadowing inevitably lead to se...
2106.12309v1
2021-06-28
Creating tunable and coupled Rashba-type quantum dots atom-by-atom
Artificial lattices created by assembling atoms on a surface with scanning tunneling microscopy present a platform to create matter with tailored electronic, magnetic and topological properties. However, such artificial lattices studies to date have focused exclusively on surfaces with weak spin-orbit coupling. Here, w...
2106.14561v1
2021-06-28
Towards Universal Neural Network Potential for Material Discovery Applicable to Arbitrary Combination of 45 Elements
Computational material discovery is under intense study owing to its ability to explore the vast space of chemical systems. Neural network potentials (NNPs) have been shown to be particularly effective in conducting atomistic simulations for such purposes. However, existing NNPs are generally designed for narrow target...
2106.14583v2
2021-07-29
Counterexample Classification
In model checking, when a given model fails to satisfy the desired specification, a typical model checker provides a counterexample that illustrates how the violation occurs. In general, there exist many diverse counterexamples that exhibit distinct violating behaviors, which the user may wish to examine before decidin...
2108.00885v3
2021-08-07
Role of interfacial energy and liquid diffusivities on pattern formation during thin-film three-phase eutectic growth
In this paper, we investigate three-phase eutectic growth during thin-film directional solidification of a model symmetric ternary eutectic alloy. In contrast to two-phase eutectics that have only a single possibility, ${\alpha}{\beta}{\alpha}{\beta}$..., as the growth pattern, during three-phase eutectic growth infini...
2108.03480v1
2021-08-09
Understanding the roles of electronic effect in CO on Pt-Sn alloy surface via band structure measurements
Using angle-resolved photoemission spectroscopy, we show the direct evidence of charge transfer between adsorbed molecules and metal substrate, i.e. chemisorption of CO on Pt(111) and Pt-Sn/Pt(111) 2x2 surfaces. The observed band structure shows a unique signature of charge transfer as CO atoms are adsorbed,revealing t...
2108.03855v1
2021-08-13
1D photonic crystal direct bandgap GeSn-on-insulator laser
GeSn alloys have been regarded as a potential lasing material for a complementary metal-oxide-semiconductor (CMOS)-compatible light source. Despite their remarkable progress, all GeSn lasers reported to date have large device footprints and active areas, which prevent the realization of densely integrated on-chip laser...
2108.06142v2
2021-08-19
Printable, castable, nanocrystalline cellulose-epoxy composites exhibiting hierarchical nacre-like toughening
Due to their exceptional mechanical and chemical properties and their natural abundance, cellulose nanocrystals (CNCs) are promising building blocks of sustainable polymer composites. However, the rapid gelation of CNC dispersions has generally limited CNC-based composites to low CNC fractions, in which polymer remains...
2108.08747v1
2021-08-19
A Deep Learning Based Automatic Defect Analysis Framework for In-situ TEM Ion Irradiations
Videos captured using Transmission Electron Microscopy (TEM) can encode details regarding the morphological and temporal evolution of a material by taking snapshots of the microstructure sequentially. However, manual analysis of such video is tedious, error-prone, unreliable, and prohibitively time-consuming if one wis...
2108.08882v1
2021-08-21
Mechanisms of bulk and surface diffusion in metallic glasses determined from molecular dynamics simulations
The bulk and surface dynamics of Cu50Zr50 metallic glass were studied using classical molecular dynamics (MD) simulations. As the alloy undergoes cooling, it passes through liquid, supercooled, and glassy states. While bulk dynamics showed a marked slowing down prior to glass formation, with increasing activation energ...
2108.09426v1
2021-08-24
Skyrmion stabilization at the domain morphology transition in ferromagnet/heavy metal heterostructures with low exchange stiffness
We report the experimental observation of micron-scale magnetic skyrmions at room temperature in several Pt/Co-based thin film heterostructures designed to possess a low exchange stiffness, perpendicular magnetic anisotropy, and a modest interfacial Dzyaloshinskii-Moriya interaction (iDMI). We find both experimentally ...
2108.10973v1
2021-08-25
A Stable High-Capacity Lithium-Ion Battery Using a Biomass-Derived Sulfur-Carbon Cathode and Lithiated Silicon Anode
A full lithium-ion-sulfur cell with a remarkable cycle life was achieved by combining an environmentally sustainable biomass-derived sulfur-carbon cathode and a pre-lithiated silicon oxide anode. X-ray diffraction, Raman spectroscopy, energy dispersive spectroscopy, and thermogravimetry of the cathode evidenced the dis...
2108.11284v1
2021-08-25
A perspective magnetic bed comprising Gd alloy multi-microwires for energy-efficient magnetic refrigeration
We have designed a new magnetic bed structure with desirable table-like magnetocaloric effect (MCE) by using three kinds of soft ferromagnetic Gd-Al-Co microwire arrays with different Curie temperatures ($T_C$). The $T_C$ interval of these three wires is ~10 K and the designed new structure named Sample A. This sample ...
2108.11446v1
2021-09-01
Synthesis and Characterization of the Ternary Nitride Semiconductor Zn$_2$VN$_3$: Theoretical Prediction, Combinatorial Screening and Epitaxial Stabilization
Computationally guided high-throughput synthesis is used to explore the Zn-V-N phase space, resulting in the synthesis of a novel ternary nitride Zn$_2$VN$_3$. Following a combinatorial PVD screening, we isolate the phase and synthesize polycrystalline Zn$_2$VN$_3$ thin films with wurtzite structure on conventional bor...
2109.00365v2
2021-09-16
Highly Tunable Magnetic and Magnetotransport Properties of Exchange Coupled Ferromagnet/Antiferromagnet-based Heterostructures
Antiferromagnets (AFMs) with zero net magnetization are proposed as active elements in future spintronic devices. Depending on the critical thickness of the AFM thin films and the measurement temperature, bimetallic Mn-based alloys and transition metal oxide-based AFMs can host various coexisting ordered, disordered, a...
2109.08136v1
2021-08-28
Impact of Surface and Pore Characteristics on Fatigue Life of Laser Powder Bed Fusion Ti-6Al-4V Alloy Described by Neural Network Models
In this study, the effects of surface roughness and pore characteristics on fatigue lives of laser powder bed fusion (LPBF) Ti-6Al-4V parts were investigated. The 197 fatigue bars were printed using the same laser power but with varied scanning speeds. These actions led to variations in the geometries of microscale por...
2109.09655v1
2021-09-22
Nanoscale characterisation of hydrides and secondary phase particles in Zircaloy-4
The interaction of hydrogen and metals continues to be industrially relevant and is a critical part of creating and supporting a safety case for nuclear reactor operation. In the present work, we explore hydrogen storage and hydride formation in a zirconium alloy. We characterise the structure and interfaces of fine sc...
2109.10955v1
2021-09-23
Large Exotic Spin Torques in Antiferromagnetic Iron Rhodium
Spin torque is a promising tool for driving magnetization dynamics for novel computing technologies. These torques can be easily produced by spin-orbit effects, but for most conventional spin source materials, a high degree of crystal symmetry limits the geometry of the spin torques produced. Magnetic ordering is one w...
2109.11108v1
2021-09-26
Electronic phase separation: recent progress in the old problem
We consider the nanoscale electronic phase separation in a wide class of different materials, mostly in strongly correlated electron systems. The phase separation turns out to be quite ubiquitous manifesting itself in different situations, where the itineracy of charge carriers competes with their tendency toward local...
2109.12684v2
2021-09-30
Thermal stability of interfacial mixed layers in c-Ni/a-Zr multilayer during annealing: structural and magnetic properties
Annealing of crystalline multilayers composed of two miscible elements usually causes interfacial mixing of the constituent atoms, possibly leading to the formation of binary alloys at the interfaces. Magnetron sputtered c-Ni/a-Zr multilayers deposited at room temperature were vacuum annealed isochronally at 200degC an...
2109.14870v1
2021-10-11
Free Energy Landscape and Isomerization Rates of Au$_4$ Clusters at Finite Temperature
In metallic nanoparticles, the cluster geometric structures control the particle's electronic band structure, polarizability, and catalytic properties. Analyzing the structural properties is a complex problem; the structure of an assembled cluster changes from moment to moment due to thermal fluctuations. Conventional ...
2110.05336v1
2021-10-12
Vapor transport growth of MnBi2Te4 and related compounds
Motivated by fine tuning of the magnetic and topological properties of MnBi$_2$Te$_4$ via defect engineering, in this work, we report the crystal growth of MnBi$_2$Te$_4$ and related compounds using vapor transport method and characterization of vapor transported crystals by measuring elemental analysis, magnetic and t...
2110.06034v1
2021-10-14
CNN-DST: ensemble deep learning based on Dempster-Shafer theory for vibration-based fault recognition
Nowadays, using vibration data in conjunction with pattern recognition methods is one of the most common fault detection strategies for structures. However, their performances depend on the features extracted from vibration data, the features selected to train the classifier, and the classifier used for pattern recogni...
2110.07191v1
2021-10-18
Vibrational quality classification of metallic turbine blades under measurement uncertainty
Non-destructive testing on metallic turbine blades is a challenging task due to their complex geometry. Vibrational test-ing such as Process Compensated Resonance Testing (PCRT) has shown an efficient approach, which first measures the vibrational response of the turbine blades, and then employs a classifier to determi...
2110.09099v1
2021-10-18
Control of Electrochemical Corrosion Properties by Influencing Mn Partitioning through Intercritically Annealing of Medium-Mn Steel
Medium-Mn steels exhibit excellent mechanical properties and lower production costs compared to high-Mn steels, which makes them a potential material for future application in the automotive industry. Intercritical annealing (ICA) after cold rolling allows to control the stacking fault energy (SFE) of austenite, the fr...
2110.09205v1
2021-10-25
Correlations between the structural, magnetic, and ferroelectric properties of BaMO3: M = Ti1-x(Mn/Fe)x compounds: A Raman study
Multiferroics possess two or more switchable states such as polarization, magnetization, etc. Phonon excitations in multiferroic phase are strongly modified by magnetoelectric coupling, spin-phonon coupling, and anharmonic phonon-phonon interactions. Here, we have investigated the correlation between phonons and multif...
2110.12673v1
2021-10-27
Identification of coherent twin relationship from high-resolution reciprocal space maps
Twinning is a common crystallographic phenomenon, which usually occurs in crystals during symmetry-lowering phase transition. Once formed, twin domains play an important role in defining physical properties: for example, twin domains underpin the giant piezoelectric effect in ferroelectrics, superelasticity in ferroela...
2110.14311v1
2021-10-29
Elucidating Pathfinding Elements from the Kubi Gold Mine in Ghana
X-ray photoelectron spectroscopy (XPS) and energy-dispersive X-ray spectroscopy (EDX) are applied to investigate the properties of fine-grained concentrate on artisanal small-scale gold mining samples from the Kubi Gold Project of the Asante Gold Corporation near Dunwka-on-Offin in the Central Region of Ghana. Both tec...
2110.15758v1
2021-10-29
Collapse of Coherent Large Scale Flow in Strongly Turbulent Liquid Metal Convection
The large-scale flow structure and the turbulent transfer of heat and momentum are directly measured in highly turbulent liquid metal convection experiments for Rayleigh numbers varied between $4 \times 10^5$ and $\leq 5 \times 10^9$ and Prandtl numbers of $0.025~\leq~Pr~\leq ~0.033$. Our measurements are performed in ...
2110.15807v2
2021-11-02
Relevance of Ge incorporation to control the physical behaviour of point defects in kesterite
To reduce the prominent VOC-deficit that limits kesterite-based solar cells efficiencies, Ge has been proposed over the recent years with encouraging results, as the reduction of the non-radiative recombination rate is considered as a way to improve the well-known Sn-kesterite world record efficiency. To gain further i...
2111.01450v1
2021-11-07
Sol-gel synthesized double perovskite Gd$_{2}$FeCrO$_{6}$ nanoparticles: Structural, magnetic and optical properties
Lead-free double perovskites are overtaking single perovskites as solar harvesting materials due to their superior stability, excellent catalytic efficiency and minimal toxicity. In this investigation, we have synthesized double perovskite Gd$_{2}$FeCrO$_{6}$ (GFCO) nanoparticles for the first time via a facile sol-gel...
2111.04021v1
2021-11-08
In-Situ Sensing and Dynamics Predictions for Electrothermally-Actuated Soft Robot Limbs
Untethered soft robots that locomote using electrothermally-responsive materials like shape memory alloy (SMA) face challenging design constraints for sensing actuator states. At the same time, modeling of actuator behaviors faces steep challenges, even with available sensor data, due to complex electrical-thermal-mech...
2111.04851v2
2021-11-10
Quantifying Microstructural Evolution via Time-Dependent Reduced-Dimension Metrics Based on Hierarchical $n$-Point Polytope Functions
We devise reduced-dimension metrics for effectively measuring the distance between two points (i.e., microstructures) in the microstructure space and quantifying the pathway associated with microstructural evolution, based on a recently introduced set of hierarchical $n$-point polytope functions $P_n$. The $P_n$ functi...
2111.05926v1
2021-11-18
Spin transport at finite temperatures: A first-principles study for ferromagnetic$|$nonmagnetic interfaces
Symmetry lowering at an interface leads to an enhancement of the effect of spin-orbit coupling and to a discontinuity of spin currents passing through the interface. This discontinuity is characterized by a "spin-memory loss" (SML) parameter $\delta$ that has only been determined directly at low temperatures. Although ...
2111.09731v1
2021-11-26
Coexistence of Multifold and Multidimensional Topological Phonons in KMgBO$_{3}$
Topological interpretations of phonons facilitate a new platform for novel concepts in phonon physics. Though there are ubiquitous set of reports on topological electronic excitations, the same for phonons are extremely limited. Here, we propose a new candidate material, KMgBO 3 , which showcase the co-existence of sev...
2111.13313v1
2021-11-26
Oleylamine aging of PtNi nanoparticles giving enhanced functionality for the oxygen reduction reaction
We report a rapid solution-phase strategy to synthesize alloyed PtNi nanoparticles which demonstrate outstanding functionality for the oxygen reduction reaction (ORR). This one-pot co-reduction colloidal synthesis results in a monodisperse population of single-crystal nanoparticles of rhombic dodecahedral morphology, w...
2111.13593v1
2021-11-26
Modeling the thermodynamics of the FeTi hydrogenation under para-equilibrium: an ab-initio and experimental study
FeTi-based hydrides have recently re-attracted attention as stationary hydrogen storage materials due to favorable reversibility, good sorption kinetics and relatively low costs compared to alternative intermetallic hydrides. Employing the OpenCalphad software, the thermodynamics of the (FeTi)$_{1-x}$H$_{x}$ (0 $\leq x...
2111.13600v2
2021-12-01
Low power continuous-wave all-optical magnetic switching in ferromagnetic nanoarrays
All-optical magnetic switching promises ultrafast, high-resolution magnetisation control with the technological attraction of requiring no magnetic field. Existing all-optical switching schemes are driven by ultrafast transient effects, typically requiring power-hungry femtosecond-pulsed lasers and complex magnetic mat...
2112.00697v2
2021-12-03
Absorption kinetics of vacancies by cavities in Aluminum: numerical characterization of sink strengths and first-passage statistics through Krylov subspace projection and eigenvalue deflation
Modeling the microstructural evolution of metal and alloys, specifically under irradiation, is essential to predict the aging properties of materials. Many models are based on a transition rate matrix describing the jump frequencies of defects and involve a master equation governing the time evolution of a state probab...
2112.01994v1
2021-12-06
Metal nanopowder production by cryogenic mechanical collision and pulsed electric discharge methods
With the introduction of micro and nanosensors and devices, the need for pure metal and ceramic powders have risen. Spherical pure metal powders and their alloys are vital raw materials for near-net-shape fabrication via powder-metallurgy manufacturing routes as well as feed stocks for powder injection molding, and add...
2112.03055v1
2021-12-09
Comparative studies of hydrogen dissolution and release behavior in zirconate oxides by TDS and TMAP4 analysis
Proton-conducting oxides are potential materials for electrochemical devices such as fuel cells, hydrogen pumps, hydrogen sensors, and the tritium purification and recovery system in nuclear fusion reactors. The hydrogen concentration in oxide materials is important, but its precise measurement is difficult. In this st...
2112.04649v1
2021-12-12
Interplay of structural and dynamical heterogeneity in the nucleation mechanism in Ni
Gaining fundamental understanding of crystal nucleation processes in metal alloys is crucial for the development and design of high-performance materials with targeted properties. Yet, crystallization is a complex non-equilibrium process and, despite having been studied for decades, the microscopic aspects that govern ...
2112.06349v1
2021-12-17
Atomic fluctuations lifting the energy degeneracy in Si/SiGe quantum dots
Electron spins in Si/SiGe quantum wells suffer from nearly degenerate conduction band valleys, which compete with the spin degree of freedom in the formation of qubits. Despite attempts to enhance the valley energy splitting deterministically, by engineering a sharp interface, valley splitting fluctuations remain a ser...
2112.09606v4
2021-12-17
SiGe quantum wells with oscillating Ge concentrations for quantum dot qubits
Large-scale arrays of quantum-dot spin qubits in Si/SiGe quantum wells require large or tunable energy splittings of the valley states associated with degenerate conduction band minima. Existing proposals to deterministically enhance the valley splitting rely on sharp interfaces or modifications in the quantum well bar...
2112.09765v3
2021-12-22
The effect of the interface energy on pattern selection in alloy solidification: A phase-field study
A thorough understanding of pattern selection is necessary for the control of solidification structures, which are dissipative structures created by irreversible processes. In this paper, we simulate solidification evolution with different Preferred Crystallographic Orientations (PCOs) through the Phase-Field model. Th...
2112.11708v4
2021-12-30
A Light-Hole Quantum Well on Silicon
The quiet quantum environment of holes in solid-state devices has been at the core of increasingly reliable architectures for quantum processors and memories.1-6 However, due to the lack of scalable materials to properly tailor the valence band character and its energy offsets, the precise engineering of light-hole (LH...
2112.15185v2
2022-01-01
Could Negative Pressures Turn Bismuth into a Metal? The Case of the Expanded
Materials may behave in non-expected ways when subject to unexpected conditions. For example, when Bi was turned into an amorphous phase (\textit{a}-Bi) unexpectedly it became a superconductor at temperatures below $10$ K. We provided an explanation as to why \textit{a}-Bi superconducts and the crystalline (\textit{c}-...
2201.00088v1
2022-01-05
High impedance TES bolometers for EDELWEISS
The EDELWEISS collaboration aims for direct detection of light dark matter using germanium cryogenic detectors with low threshold phonon sensor technologies and efficient charge readout designs. We describe here the development of Ge bolometers equipped with high impedance thermistors based on a NbxSi1-x TES alloy. Hig...
2201.01639v1
2022-01-06
Optical properties of Au-Hf thin films
The optical properties of thin films of intermetallic Au$_{3}$Hf were experimentally investigated for the first time, which display clear plasmonic properties in the optical and near infrared region with negative permittivity. In contrast to similar alloys, such as films of Au$_{3}$Zr, the films express more negative $...
2201.02163v1
2022-01-11
Resonant Precession of Magnetization and Precession -- Induced DC voltages in FeGaB Thin Films
Measurements of frequency dependent ferromagnetic resonance (FMR) and spin pumping driven dc voltage (V_{dc}) are reported for amorphous films of Fe_{78}Ga_{13}B_{9} (FeGaB) alloy to address the phenomenon of self-induced inverse spin Hall effect (ISHE) in plain films of metallic ferromagnets. The V_{dc} signal, which ...
2201.03739v1
2021-12-28
Template-assisted growth of silver nanowires by electrodeposition
Template-assisted synthesis is a facile way of growing various one-dimensional nanostructures. Among various nanoporous templates, anodic aluminium oxide (AAO) is most commonly used. In this work, the kinetics of silver nanowire growth by electrodeposition in AAO templates was investigated. The AAO templates were fabri...
2201.04947v2
2022-01-18
Laser-induced charge and spin photocurrents at BiAg$_2$ surface: a first principles benchmark
Here, we report first principles calculations and analysis of laser-induced photocurrents at the surface of a prototype Rashba system. By referring to Keldysh non-equilibrium formalism combined with the Wannier interpolation scheme we perform first-principles electronic structure calculations of a prototype BiAg$_2$ su...
2201.07122v1
2022-01-20
Evaluation of the Thermal Stability of TiW/Cu Heterojunctions Using a Combined SXPS and HAXPES Approach
Power semiconductor device architectures require the inclusion of a diffusion barrier to suppress, or at best prevent the interdiffusion between the copper metallisation interconnects and the surrounding silicon substructure. The binary pseudo-alloy of titanium-tungsten (TiW), with $>$70~at.\% W, is a well established ...
2201.08074v1
2022-04-01
Transition edge sensor based detector: from X-ray to $γ$-ray
The Transition Edge Sensor is extremely sensitive to the change of temperature, combined with the high-Z metal of a certain thickness, it can realize the high energy resolution measurement of particles such as X-rays. X-rays with energies below 10 keV have very weak penetrating ability, so only a few microns thick of g...
2204.00010v2
2022-04-10
DFT+U and Quantum Monte Carlo study of electronic and optical properties of AgNiO$_2$ and AgNi$_{1-x}$Co$_{x}$O$_2$ delafossite
As the only semimetallic $d^{10}$-based delafossite, AgNiO$_2$ has received a great deal of attention due to both its unique semimetallicity and its antiferromagnetism in the NiO$_2$ layer that is coupled with a lattice distortion. In contrast, other delafossites such as AgCoO$_2$ are insulating. Here we study how the ...
2204.04572v2
2022-04-10
Efficient route to achieve superconductivity improvement via substitutional La-Ce alloy superhydride at high pressure
The discovery of clathrate superhydrides has approached the long-standing dream of room-temperature superconductivity and thus inspired their prosperous research under high pressure. However, how to experimentally optimize these compelling superhydrides is still a formidable challenge. Here, we find that half of the Ce...
2204.04623v1
2022-04-18
Tuning skyrmions in B20 compounds by 4d and 5d doping
Skyrmion stabilization in novel magnetic systems with the B20 crystal structure is reported here, primarily based on theoretical results. The focus is on the effect of alloying on the 3d sublattice of the B20 structure by substitution of heavier 4d and 5d elements, with the ambition to tune the spin-orbit coupling and ...
2204.08496v1
2022-04-20
Experimental Simulations of Shock Textures in BCC Iron: Implications for Iron Meteorites
Neumann band in iron meteorites, which is deformation twins in kamacite (Fe-Ni alloy), has been known to be a characteristic texture indicating ancient collisions on parent bodies of meteorites. We conducted a series of shock recovery experiments on bcc iron with the projectile velocity at 1.5 km/sec at various initial...
2204.09195v1
2022-04-25
Multiscale modelling in nuclear ferritic steels: from nano-sized defects to embrittlement
Radiation-induced embrittlement of nuclear steels is one of the main limiting factors for safe long-term operation of nuclear power plants. In support of accurate and safe reactor pressure vessel (RPV) lifetime assessments, we developed a physics-based model that predicts RPV steel hardening and subsequent embrittlemen...
2204.11441v1
2022-04-27
High-performance broadband Faraday rotation spectroscopy of 2D materials and thin magnetic films
We present a Faraday rotation spectroscopy (FRS) technique for measurements on the micron scale. Spectral acquisition speeds of many orders of magnitude faster than state-of-the-art modulation spectroscopy setups are demonstrated. The experimental method is based on charge-coupled-device detection, avoiding speed-limit...
2204.12809v1